SCHEMBL963628

SCHEMBL963628

COc1ccc(S(=O)(=O)N(Cc2c(C)nn(C)c2-n2ccc3cc(Cl)ccc32)C(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 3/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
GAA P10253 1/20 0.37
CYP2D6 P10635 1/20 0.37
OXTR P30559 1/20 0.37
AVPR1A P37288 1/20 0.37
CCR2 P41597 1/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MMP9 P14780 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL963820 0.92 TRPM8 (0.38) PPARGLMNATRPM8SMN1; SMN2KEAP1
SCHEMBL963605 0.91 TRPM8 (0.41) PPARGPPARAALDH1A1LMNATRPM8
SCHEMBL964534 0.80 ALDH1A1 (0.37) PPARGPPARAALDH1A1LMNAPTGDR2
SCHEMBL966630 0.80 PTGDR2 (0.34) PPARGPTGDR2TRPM8
SCHEMBL966982 0.78 PHGDH (0.34) ALDH1A1LMNAKMT2ASMN1; SMN2POLB
SCHEMBL967888 0.77 MAPK8 (0.34) PPARGPPARALMNAPTGDR2TRPM8
SCHEMBL963395 0.77 KMT2A (0.37) TAS2R14PTGDR2TRPM8KMT2ASMN1; SMN2
SCHEMBL966868 0.76 SLC6A2 (0.35) LMNAPTGDR2TRPM8MAPTSMN1; SMN2
SCHEMBL961862 0.75 PTGDR2 (0.48) PTGDR2
SCHEMBL967867 0.75 PHGDH (0.35) LMNAPTGDR2KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 TAS2R14 3800/4885PPARG 248/4885PPARA 209/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG TAS2R14 3086/4885PPARG 3/4885PPARA 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.